Syntheses, DFT studies and comparatively photovoltaic applications of some pyrene-imine hybrid derivatives
Yazarlar (4)
Doç. Dr. Musa ERDOĞAN Kafkas Üniversitesi, Türkiye
Doç. Dr. Ali YEŞİLDAĞ Kafkas Üniversitesi, Türkiye
Doç. Dr. Hilal MEDETALİBEYOĞLU Kafkas Üniversitesi, Türkiye
Prof. Dr. Sabit Horoz Sivas Bilim ve Teknoloji Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Optical Materials (Q2) | ||
| Dergi ISSN | 0925-3467 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 06-2023 |
| Cilt / Sayı / Sayfa | 140 / 1 / – | DOI | 10.1016/j.optmat.2023.113766 |
| Makale Linki | http://dx.doi.org/10.1016/j.optmat.2023.113766 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| In this study, (E)-N-phenyl-1(pyren-1yl)methanimine (3) and a isomeric mixture of 5ZZ and 5EE (1,4-phenylenebis(1-(pyren-1-yl)methanimine) were synthesized by condensation of pyrene-1-carbaldehyde (1) with aniline (2) or benzene-1,4-diamine (4) The synthesized compounds were characterized using NMR, UV–vis, IR and HRMS spectroscopic techniques.Utilizing the density functional theory (DFT) and a basis set of B3LYP/6-311G(2d,2p), theoretical computations were done. The computed values were applied to simulated spectra of compounds 3 and the isomeric mixtures 5EE, and 5ZZ demonstrating good agreement with observed spectra. In various solvents, the UV–vis spectra of compounds 3, 5EE, and 5ZZ were recorded in areas 200–500 nm, and function density theory (DFT) and time-dependent density functional theory (TD-DFT) algorithms were used to determine if they can serve as metal-free … |
| Anahtar Kelimeler |
| DFT | DSSC | Imine | Photovoltaic | Pyrene |
Science Direct
Syntheses, DFT studies and comparatively photovoltaic applications of some pyrene-imine hybrid derivatives
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 10 |
| Google Scholar | 10 |